COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180199
Chemical Name: 4-[(4-{(1E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1cccc(c1)Cl

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Molecular Weight: 462.89
Empirical Formula: C25H19ClN2O5

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.453
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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